N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

C21H24N4O3S — CID 17470745

IUPACN-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)NCc1cn2ccccc2n1
InChIInChI=1S/C21H24N4O3S/c26-21(22-15-18-16-24-12-2-1-5-20(24)23-18)11-8-17-6-9-19(10-7-17)29(27,28)25-13-3-4-14-25/h1-2,5-7,9-10,12,16H,3-4,8,11,13-15H2,(H,22,26)
InChIKeyMFHAJVXPDKFYHS-UHFFFAOYSA-N
MW412.52 g/mol
LogP2.37
Rot. Bonds7

About N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide (PubChem CID 17470745) has the molecular formula C21H24N4O3S and a molecular weight of 412.52 g/mol. Its IUPAC name is N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound NameN-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
PubChem CID17470745
Molecular FormulaC21H24N4O3S
Molecular Weight412.52 g/mol
Exact Mass412.16
IUPAC NameN-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)NCc1cn2ccccc2n1
InChIInChI=1S/C21H24N4O3S/c26-21(22-15-18-16-24-12-2-1-5-20(24)23-18)11-8-17-6-9-19(10-7-17)29(27,28)25-13-3-4-14-25/h1-2,5-7,9-10,12,16H,3-4,8,11,13-15H2,(H,22,26)
InChIKeyMFHAJVXPDKFYHS-UHFFFAOYSA-N
XLogP2.37
TPSA83.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(azepan-1-ylsulfonyl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)aniline
CID 78818466
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CID 55976044
3-(4-fluorophenyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]propanamide
CID 18116547
N-piperidin-1-yl-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 9271161
3-(4-piperidin-1-ylsulfonylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 27052389
3-(2-fluorophenyl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide
CID 55737007
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-piperidin-1-ylsulfonyl-2-propan-2-yloxyaniline
CID 78818564
3-[4-(diethylsulfamoyl)phenyl]-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide
CID 28562876
N-(2-acetamidoethyl)-3-[4-(azepan-1-ylsulfonyl)phenyl]propanamide
CID 9204753
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)propanamide
CID 24646566
3-(4-morpholin-4-ylsulfonylphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
CID 43875203
N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-3-imidazo[1,2-a]pyridin-2-ylpropanamide
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Frequently Asked Questions

What is the IUPAC name of N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The IUPAC name of N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide (CID 17470745) is N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide.
What is the SMILES notation for N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The canonical SMILES for N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide is O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)NCc1cn2ccccc2n1.
What is the InChIKey of N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The InChIKey is MFHAJVXPDKFYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3S/c26-21(22-15-18-16-24-12-2-1-5-20(24)23-18)11-8-17-6-9-19(10-7-17)29(27,28)25-13-3-4-14-25/h1-2,5-7,9-10,12,16H,3-4,8,11,13-15H2,(H,22,26).
What are the key properties of N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide?
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide has a molecular weight of 412.52 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 17470745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).